7B3H
 
 | | Notum complex with ARUK3003909 | | 分子名称: | 1,2-ETHANEDIOL, 6-((3-(trifluoromethoxy)phenyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one, DIMETHYL SULFOXIDE, ... | | 著者 | Zhao, Y, Jones, E.Y, Fish, P. | | 登録日 | 2020-11-30 | | 公開日 | 2021-12-08 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | | 主引用文献 | Virtual Screening Directly Identifies New Fragment-Sized Inhibitors of Carboxylesterase Notum with Nanomolar Activity.
J.Med.Chem., 65, 2022
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7UYX
 | | Structure of bacteriophage PA1c gp2 | | 分子名称: | Bacteriophage PA1C gp2 | | 著者 | Enustun, E, Deep, A, Gu, Y, Nguyen, K, Chaikeeratisak, V, Armbruster, E, Ghassemian, M, Pogliano, J, Corbett, K.D. | | 登録日 | 2022-05-07 | | 公開日 | 2023-05-10 | | 最終更新日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (2.63 Å) | | 主引用文献 | Identification of the bacteriophage nucleus protein interaction network.
Nat.Struct.Mol.Biol., 30, 2023
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6X25
 | | CRYSTAL STRUCTURE OF INOSITOL POLYPHOSPHATE 1-PHOSPHATASE INPP1 IN COMPLEX GADOLINIUM AFTER ADDITION OF INOSITOL 1,3,4-TRISPHOSPHATE AND LITHIUM AT 3.2 ANGSTROM RESOLUTION | | 分子名称: | GADOLINIUM ATOM, Inositol polyphosphate 1-phosphatase, SULFATE ION | | 著者 | Dollins, D.E, Endo-Streeter, S, Ren, Y, York, J.D. | | 登録日 | 2020-05-20 | | 公開日 | 2020-11-25 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | A structural basis for lithium and substrate binding of an inositide phosphatase.
J.Biol.Chem., 296, 2020
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7SSN
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2NU7
 | | C123aS Mutant of E. coli Succinyl-CoA Synthetase | | 分子名称: | COENZYME A, PHOSPHATE ION, SULFATE ION, ... | | 著者 | Fraser, M.E. | | 登録日 | 2006-11-08 | | 公開日 | 2007-07-24 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Participation of Cys 123alpha of Escherichia coli Succinyl-CoA Synthetase in Catalysis
ACTA CRYSTALLOGR.,SECT.D, 63, 2007
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7UQA
 | | Crystal structure of the small Ultra-Red Fluorescent Protein (smURFP) | | 分子名称: | CHLORIDE ION, SODIUM ION, small Ultra-Red Fluorescent Protein (smURFP) | | 著者 | Maiti, A, Buffalo, C.Z, Saurabh, S, Montecinos-Franjola, F, Hachey, J.S, Conlon, W.J, Tran, G.N, Drobizhev, M, Moerner, W.E, Ghosh, P, Matsuo, H, Tsien, R.Y, Lin, J.Y, Rodriguez, E.A. | | 登録日 | 2022-04-19 | | 公開日 | 2023-07-19 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.802 Å) | | 主引用文献 | Structural and photophysical characterization of the small ultra-red fluorescent protein.
Nat Commun, 14, 2023
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6QYL
 | | Structure of MBP-Mcl-1 in complex with compound 8a | | 分子名称: | (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, SODIUM ION, ... | | 著者 | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | | 登録日 | 2019-03-09 | | 公開日 | 2019-08-07 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity.
J.Med.Chem., 62, 2019
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4YLH
 | | Crystal structure of DpgC with bound substrate analog and Xe on oxygen diffusion pathway | | 分子名称: | DpgC, XENON, [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL (3R)-4-({3-[(2-{[(3,5-DIHYDROXYPHENYL)ACETYL]AMINO}ETHYL)AMINO]-3-OXOPROPYL}AMINO)-3-HYDROXY-2,2-DIMETHYL-4-OXOBUTYL DIHYDROGEN DIPHOSPHATE | | 著者 | Li, K, Di Russo, N.V, Condurso, H.L, Roitberg, A.E, Bruner, S.D. | | 登録日 | 2015-03-05 | | 公開日 | 2015-08-05 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | Oxygen diffusion pathways in a cofactor-independent dioxygenase.
Chem Sci, 6, 2015
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8V3S
 | | Structure of CCP5 class3 | | 分子名称: | Cytosolic carboxypeptidase-like protein 5, GLUTAMIC ACID, ZINC ION, ... | | 著者 | Chen, J, Zehr, E.A, Gruschus, J.M, Szyk, A, Liu, Y, Tanner, M.E, Tjandra, N, Roll-Mecak, A. | | 登録日 | 2023-11-28 | | 公開日 | 2024-07-17 | | 最終更新日 | 2024-08-07 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Tubulin code eraser CCP5 binds branch glutamates by substrate deformation.
Nature, 631, 2024
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1D43
 | | DNA DODECAMER C-G-C-G-A-A-T-T-C-G-C-G/HOECHST 33258 COMPLEX: 0 DEGREES C, PIPERAZINE UP | | 分子名称: | 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION | | 著者 | Quintana, J.R, Lipanov, A.A, Dickerson, R.E. | | 登録日 | 1991-06-04 | | 公開日 | 1992-04-15 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Low-temperature crystallographic analyses of the binding of Hoechst 33258 to the double-helical DNA dodecamer C-G-C-G-A-A-T-T-C-G-C-G.
Biochemistry, 30, 1991
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6ULM
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4YWC
 | | Crystal structure of Myc3(5-242) fragment in complex with Jaz9(218-239) peptide | | 分子名称: | Protein TIFY 7, Transcription factor MYC3 | | 著者 | Ke, J, Zhang, F, Brunzelle, J.S, Xu, H.E, Melcher, K, He, S.Y. | | 登録日 | 2015-03-20 | | 公開日 | 2015-08-05 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural basis of JAZ repression of MYC transcription factors in jasmonate signalling.
Nature, 525, 2015
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6TYK
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7TOK
 | | Crystal structure of the CBM domain of carbohydrate esterase FjoAcXE | | 分子名称: | Acetylxylan esterase I | | 著者 | Stogios, P.J, Skarina, T, Di Leo, R, Jurak, E, Master, E. | | 登録日 | 2022-01-24 | | 公開日 | 2022-04-13 | | 最終更新日 | 2022-11-02 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Elucidating Sequence and Structural Determinants of Carbohydrate Esterases for Complete Deacetylation of Substituted Xylans.
Molecules, 27, 2022
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6ZYB
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6FRQ
 | | Structure of tetragonal Hen Egg-White Lysozyme co-crystallized in presence of 100 mM Tb-Xo4 and 100 mM Potassium sodium tartrate tetrahydrate. | | 分子名称: | CHLORIDE ION, Lysozyme C, TERBIUM(III) ION | | 著者 | Engilberge, S, Riobe, F, Di Pietro, S, Wagner, T, Shima, S, Girard, E, Dumont, E, Maury, O. | | 登録日 | 2018-02-16 | | 公開日 | 2018-10-03 | | 最終更新日 | 2019-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Unveiling the Binding Modes of the Crystallophore, a Terbium-based Nucleating and Phasing Molecular Agent for Protein Crystallography.
Chemistry, 24, 2018
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6RV2
 | | Crystal structure of the human two pore domain potassium ion channel TASK-1 (K2P3.1) in a closed conformation | | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL HEMISUCCINATE, DECYL-BETA-D-MALTOPYRANOSIDE, ... | | 著者 | Rodstrom, K.E.J, Pike, A.C.W, Zhang, W, Quigley, A, Speedman, D, Mukhopadhyay, S.M.M, Shrestha, L, Chalk, R, Venkaya, S, Bushell, S.R, Tessitore, A, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | | 登録日 | 2019-05-30 | | 公開日 | 2019-08-07 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | A lower X-gate in TASK channels traps inhibitors within the vestibule.
Nature, 582, 2020
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7TOG
 | | Crystal structure of carbohydrate esterase PbeAcXE, apoenzyme | | 分子名称: | SGNH hydrolase | | 著者 | Stogios, P.J, Skarina, T, Di Leo, R, Jurak, E, Master, E. | | 登録日 | 2022-01-24 | | 公開日 | 2022-04-13 | | 最終更新日 | 2022-11-02 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Elucidating Sequence and Structural Determinants of Carbohydrate Esterases for Complete Deacetylation of Substituted Xylans.
Molecules, 27, 2022
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8TTA
 | | Structure of retromer VPS29-VPS35 (483-796) complexed with Fam21A repeat 21 (1328-1341) | | 分子名称: | ACETATE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | 著者 | Chen, K.-E, Guo, Q, Collins, B.M. | | 登録日 | 2023-08-13 | | 公開日 | 2024-08-21 | | 実験手法 | X-RAY DIFFRACTION (3.46 Å) | | 主引用文献 | Structural basis for coupling of the WASH subunit FAM21 with the endosomal SNX27-Retromer complex.
Proc.Natl.Acad.Sci.USA, 121, 2024
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7TOI
 | | Crystal structure of carbohydrate esterase PbeAcXE, in complex with acetate | | 分子名称: | ACETATE ION, SGNH hydrolase | | 著者 | Stogios, P.J, Skarina, T, Di Leo, R, Jurak, E, Master, E. | | 登録日 | 2022-01-24 | | 公開日 | 2022-04-13 | | 最終更新日 | 2022-11-02 | | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | | 主引用文献 | Elucidating Sequence and Structural Determinants of Carbohydrate Esterases for Complete Deacetylation of Substituted Xylans.
Molecules, 27, 2022
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7TOH
 | | Crystal structure of carbohydrate esterase PbeAcXE, in complex with MeGlcpA-Xylp | | 分子名称: | 4-O-methyl-alpha-D-glucopyranuronic acid-(1-2)-beta-D-xylopyranose, SGNH hydrolase | | 著者 | Stogios, P.J, Skarina, T, Di Leo, R, Jurak, E, Master, E. | | 登録日 | 2022-01-24 | | 公開日 | 2022-04-13 | | 最終更新日 | 2022-11-02 | | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | | 主引用文献 | Elucidating Sequence and Structural Determinants of Carbohydrate Esterases for Complete Deacetylation of Substituted Xylans.
Molecules, 27, 2022
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7B9H
 | | Crystal structure of the PDE4D catalytic domain in complex with GEBR-42a | | 分子名称: | 1,2-ETHANEDIOL, 3-[(~{E})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-morpholin-4-yl-propan-1-one, MAGNESIUM ION, ... | | 著者 | Torretta, A, Abbate, S, Parisini, E. | | 登録日 | 2020-12-14 | | 公開日 | 2021-06-30 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Design, synthesis, biological evaluation and structural characterization of novel GEBR library PDE4D inhibitors.
Eur.J.Med.Chem., 223, 2021
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3UPZ
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3UQF
 | | c-SRC kinase domain in complex with BKI RM-1-89 | | 分子名称: | 3-(6-ethoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src | | 著者 | Merritt, E.A, Larson, E.T. | | 登録日 | 2011-11-20 | | 公開日 | 2012-03-14 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
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4Y7L
 | | T6SS protein TssM C-terminal domain (869-1107) from EAEC | | 分子名称: | GLYCEROL, Type VI secretion protein IcmF, ZINC ION | | 著者 | Nguyen, V.S, Spinelli, S, Durand, E, Roussel, A, Cambillau, C. | | 登録日 | 2015-02-15 | | 公開日 | 2015-08-05 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | | 主引用文献 | Biogenesis and structure of a type VI secretion membrane core complex.
Nature, 523, 2015
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